3-[(1Z,3E)-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-1-one

C16H24O3 — CID 10563591

IUPAC3-[(1Z,3E)-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-1-one
SMILESO=C1CCCC(/C=C\C=C\COC2CCCCO2)C1
InChIInChI=1S/C16H24O3/c17-15-9-6-8-14(13-15)7-2-1-4-11-18-16-10-3-5-12-19-16/h1-2,4,7,14,16H,3,5-6,8-13H2/b4-1+,7-2-
InChIKeyKTZCLPBPFLJAKC-MFTLUYHJSA-N
MW264.36 g/mol
LogP3.40
Rot. Bonds5

About 3-[(1Z,3E)-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-1-one

3-[(1Z,3E)-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-1-one (PubChem CID 10563591) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 3-[(1Z,3E)-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-1-one.

Molecular Properties

Compound Name3-[(1Z,3E)-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-1-one
PubChem CID10563591
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name3-[(1Z,3E)-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-1-one
SMILESO=C1CCCC(/C=C\C=C\COC2CCCCO2)C1
InChIInChI=1S/C16H24O3/c17-15-9-6-8-14(13-15)7-2-1-4-11-18-16-10-3-5-12-19-16/h1-2,4,7,14,16H,3,5-6,8-13H2/b4-1+,7-2-
InChIKeyKTZCLPBPFLJAKC-MFTLUYHJSA-N
XLogP3.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(1Z,3E)-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-1-one?
The IUPAC name of 3-[(1Z,3E)-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-1-one (CID 10563591) is 3-[(1Z,3E)-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-1-one.
What is the SMILES notation for 3-[(1Z,3E)-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-1-one?
The canonical SMILES for 3-[(1Z,3E)-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-1-one is O=C1CCCC(/C=C\C=C\COC2CCCCO2)C1.
What is the InChIKey of 3-[(1Z,3E)-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-1-one?
The InChIKey is KTZCLPBPFLJAKC-MFTLUYHJSA-N. The full InChI is InChI=1S/C16H24O3/c17-15-9-6-8-14(13-15)7-2-1-4-11-18-16-10-3-5-12-19-16/h1-2,4,7,14,16H,3,5-6,8-13H2/b4-1+,7-2-.
What are the key properties of 3-[(1Z,3E)-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-1-one?
3-[(1Z,3E)-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-1-one has a molecular weight of 264.36 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z,3E)-5-(oxan-2-yloxy)penta-1,3-dienyl]cyclohexan-1-one is sourced from PubChem (CID 10563591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).